ID: 47356
SMILES:c1(O)cc(CO)cc2c1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -14.332
InChIKey:QBGACCKYCDZMPP-UHFFFAOYSA-N
ID: 47357
SMILES:C(CCCC)c1cc2c(cc1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.869
InChIKey:GIJHEBBJNYJRQK-UHFFFAOYSA-N
ID: 47358
SMILES:C(C)(C)C1C2C=C(C)Oc3c(c(O)cc(CCCCC)c3O)C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 384.56
CB1 binding score: -15.374
InChIKey:SLBKXHGNKUSBQA-UHFFFAOYSA-N
ID: 47359
SMILES:CC1(CCC=C(C)C)C=Cc2c(OC)c(CCCCC)cc(O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.768
InChIKey:UIRARBWZHWJDOU-UHFFFAOYSA-N
ID: 47360
SMILES:C1CC2(C)Oc3c(c(O)c(C(OC)=O)c(CCCCC)c3)C3C2(C)CCC(C(C)C)=C31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.614
InChIKey:DLWHDIVVQRDZFR-UHFFFAOYSA-N
ID: 47361
SMILES:c12c(cc(C(O)=O)cc1)OC(C)(C)C1CC=C(C)C(O)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.303
InChIKey:MVZFHHSTKOSLOK-UHFFFAOYSA-N
ID: 47362
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)C1OCC3(CCC(C(C)C)=C3)C(O)(CCCO)C1(C2=O)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 528.686
CB1 binding score: -16.52
InChIKey:LFTDKKXILOAJDW-UHFFFAOYSA-N
ID: 47363
SMILES:OC(c1c(CCCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.347
InChIKey:CYZQRJBHOUUSPL-UHFFFAOYSA-N
ID: 47364
SMILES:C(CCCCc1c(C(OCC)=O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.656
CB1 binding score: -14.072
InChIKey:QEUKITCIMMIUCL-UHFFFAOYSA-N
ID: 47365
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2CC(C)=CC(=O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.853
InChIKey:XBHAYMZVVIBAMR-UHFFFAOYSA-N
ID: 47366
SMILES:C1(Br)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.261
CB1 binding score: -17.061
InChIKey:CINLPKDSTQJRTO-UHFFFAOYSA-N
ID: 47367
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 47368
SMILES:C(CC(C)=CCc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(C=O)c1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.929
InChIKey:KCSSLCDTEFCDAH-UHFFFAOYSA-N
ID: 47369
SMILES:C1=C(C)C2OC2C2C(C)(C)Oc3c(c(OC)cc(O)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.521
InChIKey:CNMHWOPOURJLAE-UHFFFAOYSA-N
ID: 47370
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(CCCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -13.532
InChIKey:KOINTVVHIJEQFV-UHFFFAOYSA-N
ID: 47371
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 47372
SMILES:C(C(CO)C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.652
InChIKey:JUQZRTLGSIFQNI-UHFFFAOYSA-N
ID: 47373
SMILES:CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 47374
SMILES:O=C(O)C1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -18.209
InChIKey:RAWHNNKBKXBZJY-UHFFFAOYSA-N
ID: 47375
SMILES:OC(CCC(c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.624
InChIKey:MARJAGKWRCGWJT-UHFFFAOYSA-N
ID: 47376
SMILES:CC1(C)CCC2(C)C(C1)C1(c3c(cc(CCCCC)cc3O)O1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.451
InChIKey:XLZQIJRCZUANLG-UHFFFAOYSA-N